{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.130737 0.716446 ] [ 0.25 0.369263 0.216446 ] [ 0.75 0.630737 0.783554 ] [ 0.75 0.869263 0.283554 ] [ 0.75 0.279651 0.444736 ] [ 0.75 0.220349 0.944736 ] [ 0.25 0.779651 0.055264 ] [ 0.25 0.720349 0.555264 ] [ 0.25 0.104254 0.20398 ] [ 0.25 0.395746 0.70398 ] [ 0.75 0.604254 0.29602 ] [ 0.75 0.895746 0.79602 ] [ 0.75 0.048374 0.803658 ] [ 0.25 0.174035 0.334521 ] [ 0.25 0.19796 0.085662 ] [ 0.25 0.30204 0.585662 ] [ 0.75 0.451626 0.303658 ] [ 0.25 0.325965 0.834521 ] [ 0.75 0.674035 0.165479 ] [ 0.25 0.548374 0.696342 ] [ 0.75 0.69796 0.414338 ] [ 0.75 0.80204 0.914338 ] [ 0.75 0.825965 0.665479 ] [ 0.25 0.951626 0.196342 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.12024036 "source-unit" "angstrom" } "b" { "source-value" 8.92606154 "source-unit" "angstrom" } "c" { "source-value" 9.52536542 "source-unit" "angstrom" } }